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GUI Usage

OpenBuilder can be launched using Streamlit:

streamlit run app.py

🧭 What you can configure

The GUI allows you to configure:

  • System type (membrane or membrane + protein)
  • Box size
  • Martini force field
  • Membrane composition
  • Solvation and salt molarity
  • Number of replicas (systems)
  • Protein input files
  • Protein placement and rotation

🚀 Build Process

Press the BUILD button to generate your systems.

This will create a project folder:

outputs/<project_name>/

and automatically generate a downloadable ZIP archive.

🧬 Protein Input Files

For protein-containing systems, upload:

  • A coarse-grained .pdb file
  • The corresponding .itp topology file

These files are copied into:

user_inputs/

inside the output project folder, ensuring the build is fully reproducible.

📦 Output Summary

After building, you will have:

  • A complete project folder inside outputs/
  • A ZIP archive in downloads/
  • All inputs and configuration stored for reuse